mp-24500/ZnH12SeO10/harm

Harmonic properties

../../_images/fig_bandos_pr12430.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16714.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12430.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212129.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times21120.png

(a) Computation time